1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one

C21H31N3O2 — CID 21186441

IUPAC1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one
SMILESO=c1n(O)c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C21H31N3O2/c25-21-23(19-10-6-7-11-20(19)24(21)26)18-12-14-22(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18,26H,1-5,8-9,12-16H2
InChIKeyLAZUJTWVIKSIDX-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.04
Rot. Bonds3

About 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one

1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one (PubChem CID 21186441) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one.

Molecular Properties

Compound Name1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one
PubChem CID21186441
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one
SMILESO=c1n(O)c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C21H31N3O2/c25-21-23(19-10-6-7-11-20(19)24(21)26)18-12-14-22(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18,26H,1-5,8-9,12-16H2
InChIKeyLAZUJTWVIKSIDX-UHFFFAOYSA-N
XLogP4.04
TPSA50.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one?
The IUPAC name of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one (CID 21186441) is 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one.
What is the SMILES notation for 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one?
The canonical SMILES for 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one is O=c1n(O)c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1.
What is the InChIKey of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one?
The InChIKey is LAZUJTWVIKSIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-21-23(19-10-6-7-11-20(19)24(21)26)18-12-14-22(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18,26H,1-5,8-9,12-16H2.
What are the key properties of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one?
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one has a molecular weight of 357.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one is sourced from PubChem (CID 21186441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).